ACCESSION: MSBNK-RIKEN-PR100190
RECORD_TITLE: Piperidine; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2009.09.10, modified 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Piperidine
CH$NAME: Hexahydropyridine
CH$NAME: Perhydroazine
CH$NAME: Perhydropyridine
CH$NAME: Azacyclohexane
CH$NAME: Cyclopentimine
CH$NAME: Cypentil
CH$NAME: Hexazane
CH$NAME: Pentamethyleneimine
CH$NAME: Pentamethylenimine
CH$COMPOUND_CLASS: Piperidines
CH$FORMULA: C₅H₁₁N
CH$EXACT_MASS: 85.08915
CH$SMILES: C(C1)CCNC1
CH$IUPAC: InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
CH$LINK: CAS 110-89-4
CH$LINK: CHEMSPIDER 7791
CH$LINK: KEGG C01746
CH$LINK: PUBCHEM CID:8082
CH$LINK: INCHIKEY NQRYJNQNLNOLGT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021165

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

MS$FOCUSED_ION: PRECURSOR_M/Z 86.09694
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-9000000000-155786c0621c522e75a7
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  69.0710 9.169 79
  86.0660 1.183 10
  86.0969 115.8 999
//